N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine

C15H21N3S — CID 64633462

IUPACN-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1ncnc2ccccc12
InChIInChI=1S/C15H21N3S/c1-12(16-2)7-5-6-10-19-15-13-8-3-4-9-14(13)17-11-18-15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3
InChIKeyUMALMSAKGISSAZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.50
Rot. Bonds7

About N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine

N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine (PubChem CID 64633462) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine.

Molecular Properties

Compound NameN-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
PubChem CID64633462
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine
SMILESCNC(C)CCCCSc1ncnc2ccccc12
InChIInChI=1S/C15H21N3S/c1-12(16-2)7-5-6-10-19-15-13-8-3-4-9-14(13)17-11-18-15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3
InChIKeyUMALMSAKGISSAZ-UHFFFAOYSA-N
XLogP3.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868
4-(3-phenylmethoxybutylsulfanyl)quinazoline
CID 155949417
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
N-methyl-2-quinazolin-4-ylsulfanylpropan-1-amine
CID 62577206
2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
CID 64808507
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
N-heptan-2-ylquinazolin-4-amine
CID 54950682

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine?
The IUPAC name of N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine (CID 64633462) is N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine.
What is the SMILES notation for N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine?
The canonical SMILES for N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine is CNC(C)CCCCSc1ncnc2ccccc12.
What is the InChIKey of N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine?
The InChIKey is UMALMSAKGISSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12(16-2)7-5-6-10-19-15-13-8-3-4-9-14(13)17-11-18-15/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3.
What are the key properties of N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine?
N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-quinazolin-4-ylsulfanylhexan-2-amine is sourced from PubChem (CID 64633462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).